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Dimethylmalonic acid, octadecyl 2,2,3,3,3-pentafluoropropyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, octadecyl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID An7Sz13mdsp
InChI InChI=1S/C26H45F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34-22(32)24(2,3)23(33)35-21-25(27,28)26(29,30)31/h4-21H2,1-3H3
InChIKey UPQNHXDSSORYQR-UHFFFAOYSA-N
Mol Weight 516.6 g/mol
Molecular Formula C26H45F5O4
Exact Mass 516.323801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65iO22e4PGc
Name Dimethylmalonic acid, octadecyl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 516.323800740 u
Formula C26H45F5O4
InChI InChI=1S/C26H45F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34-22(32)24(2,3)23(33)35-21-25(27,28)26(29,30)31/h4-21H2,1-3H3
InChIKey UPQNHXDSSORYQR-UHFFFAOYSA-N
Molecular Weight 516.634 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(C(=O)OCC(C(F)(F)F)(F)F)(C)C)=O